Pestalotiopyrone E

Details

• Internal ID: dd8aeee0-aa12-40c7-a8d9-13df00ee7f78
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
• IUPAC Name: 6-(3-hydroxybutan-2-yl)-4-methoxypyran-2-one
• InChI: InChI=1S/C10H14O4/c1-6(7(2)11)9-4-8(13-3)5-10(12)14-9/h4-7,11H,1-3H3
• InChI Key: YHUYXKZLGRZKAJ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₄O₄
• Molecular Weight: 198.22 g/mol
• Exact Mass: 198.08920892 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 0.80

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.03%	91.11%
CHEMBL2581	P07339	Cathepsin D	92.26%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.89%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.27%	85.14%
CHEMBL4208	P20618	Proteasome component C5	89.14%	90.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.13%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.63%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	85.33%	94.73%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	84.73%	91.07%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.49%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.19%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.03%	90.71%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.97%	99.15%
CHEMBL1907	P15144	Aminopeptidase N	80.62%	93.31%

Plants that contains it

• Rhizophora mucronata

Cross-Links

• PubChem: 52920587
• LOTUS: LTS0076213
• wikiData: Q77374571